SCHEMBL7044128

SCHEMBL7044128

O=C(O)Cc1cc(=O)c2ccccc2o1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.62
KDM4E B2RXH2 3/20 0.58
USP2 O75604 1/20 0.58
CSNK2A2 P19784 1/20 0.58
PTGS1 P23219 1/20 0.58
CSNK2B P67870 1/20 0.58
CSNK2A1 P68400 1/20 0.58
CSNK2A3 Q8NEV1 1/20 0.58
CYP11B1 P15538 2/20 0.54
CYP11B2 P19099 2/20 0.54
SIGMAR1 Q99720 2/20 0.54
LMNA P02545 1/20 0.52
TNKS O95271 3/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.51
HPGD P15428 2/20 0.51
GABRP O00591 1/20 0.51
GABRD O14764 1/20 0.51
CA12 O43570 1/20 0.51

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27664301 0.85 PPARG (0.56) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL27484451 0.84 PPARG (0.68) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL31217586 0.81 KDM4E (0.54) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL29802950 0.81 PPARG (0.63) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL3395103 0.81 PPARG (0.63) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL7538820 0.81 PPARG (0.55) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL6747772 0.79 KDM4E (0.59) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL19925815 0.78 PPARG (0.69) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL24310220 0.78 CYP11B1 (0.77) PPARGKDM4EUSP2CSNK2A2PTGS1
SCHEMBL1650806 0.77 ESR1 (0.57) NPC1RAB9ASMN1; SMN2HPGDCA12

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292589-A2 METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR MILLENIUM PHARMACEUTICALS, INC. (US) 2003-03-19 EP disclosed
WO-2001094335-A2 METHODS FOR PRODUCING CHIRAL CHROMONES, CHROMANES, AMINO SUBSTITUTED CHROMANES AND INTERMEDIATES THEREFOR ELI LILLY & COMPANY (US) 2001-12-13 WO disclosed